UCSF

ZINC22810734

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.31 10.1 -43.73 1 7 1 59 473.663 9
Hi High (pH 8-9.5) 4.31 7.88 -15.47 0 7 0 58 472.655 9
Mid Mid (pH 6-8) 4.31 10.61 -44.58 1 7 1 59 473.663 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )